丁基硫代膦酸O,S-二甲酯
TL;DR: 丁基硫代膦酸O,S-二甲酯 (CAS 90220-20-5) is a chemical compound with molecular formula C6H15O2PS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基硫代膦酸O,S-二甲酯
1-[methoxy(methylsulfanyl)phosphoryl]butane
Also Known As: Butylphosphonothioic acid O,S-dimethyl ester, O,S-Dimethyl butylphosphonothioate, Phosphonothioic acid, butyl-, O,S-dimethyl ester, 1-[methoxy(methylsulfanyl)phosphoryl]butane, RefChem:1095256
| Molecular Formula | C6H15O2PS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.05304 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 90220-20-5 |
|---|---|
| SMILES | CCCCP(=O)(OC)SC |
| InChIKey | MBBWHUDMOAASLP-UHFFFAOYSA-N |
Product Overview
丁基硫代膦酸O,S-二甲酯 (CAS 90220-20-5), with molecular formula C6H15O2PS and molecular weight 182.05 g/mol. IUPAC: 1-[methoxy(methylsulfanyl)phosphoryl]butane.
Chemical Property Profile of 丁基硫代膦酸O,S-二甲酯
Property Insights of 丁基硫代膦酸O,S-二甲酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基硫代膦酸O,S-二甲酯. With a topological polar surface area (TPSA) of 51.6 Ų, 丁基硫代膦酸O,S-二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基硫代膦酸O,S-二甲酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丁基硫代膦酸O,S-二甲酯?
The CAS number of 丁基硫代膦酸O,S-二甲酯 is 90220-20-5.
What is the molecular formula of 丁基硫代膦酸O,S-二甲酯?
The molecular formula of 丁基硫代膦酸O,S-二甲酯 is C6H15O2PS.
What is the molecular weight of 丁基硫代膦酸O,S-二甲酯?
The molecular weight of 丁基硫代膦酸O,S-二甲酯 is 182.05 g/mol.
Where can I buy 丁基硫代膦酸O,S-二甲酯?
You can request a quote for 丁基硫代膦酸O,S-二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基硫代膦酸O,S-二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基硫代膦酸O,S-二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.